| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 7th, 2004 | 12 | No |
Popular Name: 2-Chloro-1-(3,4-dihydroxyphenyl)ethanone 2-Chloro-1-(3,4-dihydroxyphenyl)…
Find On: PubMed — Wikipedia — Google
CAS Numbers: 97805-05-5 , 99-40-1 , [99-40-1]
(1-phenylcyclopropyl)methanamine
2-CHLORO-1-(3,4-DIHYDROXY-PHENYL)-ETHANONE
2-chloro-1-(3,4-dihydroxyphenyl)ethan-1-one
2-Chloro-3',4'-dihydroxyacetophenone
2-Chloro-3',4'-dihydroxyacetophenone, 97%
3',4'-Dihydroxy-2-chloroacetophenone
3,4-Dihydroxy-2'-chloroacetophenone
3,4-Dihydroxyphenacyl chloride
alpha-Chloro-3,4-dihydroxyacetophenone
chloromethyl 3,4-dihydroxyphenyl ketone
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 1.10 | 0.72 | -12.72 | 2 | 3 | 0 | 58 | 186.594 | 2 | ↓ |
| Hi High (pH 8-9.5) | 1.10 | 1.64 | -43.6 | 1 | 3 | -1 | 60 | 185.586 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Melting_Point | 172-176? | Alfa-Aesar |
| Melting_Point | 172-176° | Alfa-Aesar |
| MP | 173 | TCI |
| MP | 174 - 176 | Enamine Building Blocks |
| MP | 174-176° | Oakwood Chemical |
| MP | 174...176 | Enamine Building Blocks |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 95% | Fluorochem |
| Purity | 99.5% | APIChem |
